N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

C23H28N4O4S — CID 55550889

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)ccc1OC
InChIInChI=1S/C23H28N4O4S/c1-5-26(6-2)32(29,30)21-15-19(12-13-20(21)31-4)23(28)24-22-14-17(3)25-27(22)16-18-10-8-7-9-11-18/h7-15H,5-6,16H2,1-4H3,(H,24,28)
InChIKeyVDMBQDFXYYZCDH-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.53
Rot. Bonds9

About N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide

N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (PubChem CID 55550889) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
PubChem CID55550889
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)ccc1OC
InChIInChI=1S/C23H28N4O4S/c1-5-26(6-2)32(29,30)21-15-19(12-13-20(21)31-4)23(28)24-22-14-17(3)25-27(22)16-18-10-8-7-9-11-18/h7-15H,5-6,16H2,1-4H3,(H,24,28)
InChIKeyVDMBQDFXYYZCDH-UHFFFAOYSA-N
XLogP3.53
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55856009
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 43052464
3-[benzyl(ethyl)sulfamoyl]-N-(3-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 2712878
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60571336
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
N-(2-benzyl-5-methylpyrazol-3-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55551193
N-(2-benzyl-5-methylpyrazol-3-yl)-4-ethoxy-3-nitrobenzamide
CID 51112941
3-(diethylsulfamoyl)-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 18106773
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 60571041

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide (CID 55550889) is N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2Cc2ccccc2)ccc1OC.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is VDMBQDFXYYZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-5-26(6-2)32(29,30)21-15-19(12-13-20(21)31-4)23(28)24-22-14-17(3)25-27(22)16-18-10-8-7-9-11-18/h7-15H,5-6,16H2,1-4H3,(H,24,28).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 456.57 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55550889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).